Changeset 561b94


Ignore:
Timestamp:
Jul 28, 2015, 1:42:52 PM (9 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
Children:
883ea0
Parents:
f27c2c
git-author:
Frederik Heber <heber@…> (06/19/15 17:35:50)
git-committer:
Frederik Heber <heber@…> (07/28/15 13:42:52)
Message:

FIX: tests/regression FragmentationAutomation had a white space after line break.

Location:
tests
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • tests/GuiChecks/Fragmentation/FragmentationAutomation/testsuite-fragmentation-fragmentation-automation.at

    rf27c2c r561b94  
    2424AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Fragmentation/FragmentMolecule/pre/test.conf $file], 0)
    2525AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
    26 AT_CHECK([../../molecuilder --dry-run   -i $file        --subgraph-dissection   --verbose 1     --select-molecule-by-id 0       --select-molecules-atoms        --fragment-molecule BondFragment        --distance 1.55         --order 2       --fragment-automation   --fragment-executable /bin/false --no-dry-run --store-session session-fragmentation-fragmentation-automation.py --session-type python], 0
     26AT_CHECK([../../molecuilder --dry-run   -i $file        --subgraph-dissection   --verbose 1     --select-molecule-by-id 0       --select-molecules-atoms        --fragment-molecule BondFragment        --distance 1.55         --order 2       --fragment-automation   --fragment-executable /bin/false --no-dry-run --store-session session-fragmentation-fragmentation-automation.py --session-type python], 0, [stdout], [stderr])
    2727AT_CHECK([grep -v "Command.*DryRun" session-fragmentation-fragmentation-automation.py >session-fragmentation-fragmentation-automation_new.py], 0, [ignore], [ignore])
    28 AT_CHECK([../../molecuilderguitest session-fragmentation-fragmentation-automation_new.py],
    29         5, [stdout], [stderr])
     28AT_CHECK([../../molecuilderguitest session-fragmentation-fragmentation-automation_new.py], 5, [stdout], [stderr])
    3029
    3130AT_CLEANUP
     
    3736AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Fragmentation/FragmentMolecule/pre/test.conf $file], 0)
    3837AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
    39 AT_CHECK([../../molecuilder     -i $file        --subgraph-dissection   --verbose 1     --select-molecule-by-id 0       --select-molecules-atoms        --fragment-molecule BondFragment        --distance 1.55         --order 2       --fragment-automation   --fragment-executable /bin/false \
    40         --analyse-fragment-results      --fragment-prefix $FILENAME     --fragment-resultfile ${FILENAME}_results.dat],
    41         5, [stdout], [stderr])
     38AT_CHECK([../../molecuilder --dry-run   -i $file        --subgraph-dissection   --verbose 1     --select-molecule-by-id 0       --select-molecules-atoms        --fragment-molecule BondFragment        --distance 1.55         --order 2       --fragment-automation   --fragment-executable /bin/false        --analyse-fragment-results      --fragment-prefix $FILENAME     --fragment-resultfile ${FILENAME}_results.dat --no-dry-run --store-session session-fragmentation-fragmentation-automation.py --session-type python], 0, [stdout], [stderr])
     39AT_CHECK([grep -v "Command.*DryRun" session-fragmentation-fragmentation-automation.py >session-fragmentation-fragmentation-automation_new.py], 0, [ignore], [ignore])
     40AT_CHECK([../../molecuilderguitest session-fragmentation-fragmentation-automation_new.py], 5, [stdout], [stderr])
    4241
    4342AT_CLEANUP
  • tests/regression/Fragmentation/FragmentationAutomation/testsuite-fragmentation-fragmentation-automation.at

    rf27c2c r561b94  
    3434        --order 2 \
    3535        --fragment-automation \
    36         --fragment-executable /bin/false],
    37         5, [stdout], [stderr])
     36        --fragment-executable /bin/false], 5, [stdout], [stderr])
    3837
    3938AT_CLEANUP
     
    5554        --order 2 \
    5655        --fragment-automation \
    57         --fragment-executable /bin/false \ 
     56        --fragment-executable /bin/false \
    5857        --analyse-fragment-results \
    5958        --fragment-prefix $FILENAME \
    60         --fragment-resultfile ${FILENAME}_results.dat],
    61         5, [stdout], [stderr])
     59        --fragment-resultfile ${FILENAME}_results.dat], 5, [stdout], [stderr])
    6260
    6361AT_CLEANUP
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